3-(2-methoxyethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H33N4O3S+ MolecularWeight: 433.58742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCOC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCOC

InChI

InChI=1S/C22H32N4O3S/c1-17-5-3-6-18-15-19(21(27)24-20(17)18)16-26(22(30)23-7-12-28-2)9-4-8-25-10-13-29-14-11-25/h3,5-6,15H,4,7-14,16H2,1-2H3,(H,23,30)(H,24,27)/p+1